Hydrochloric Acid

Hydrochloric Acid

SCHEMBL26102086

CC(C)(N)CCNCCCCN(CCC(C)(C)N)C(=O)CCC(=O)O.Cl.Cl.Cl

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 known ✓ O15379 2/20 0.31
▸ HDAC4 known ✓ P56524 2/20 0.31
▸ HDAC1 known ✓ Q13547 2/20 0.31
▸ HDAC7 known ✓ Q8WUI4 2/20 0.31
▸ HDAC2 known ✓ Q92769 2/20 0.31
▸ HDAC10 known ✓ Q969S8 2/20 0.31
▸ HDAC11 known ✓ Q96DB2 2/20 0.31
▸ HDAC8 known ✓ Q9BY41 2/20 0.31
▸ HDAC6 known ✓ Q9UBN7 2/20 0.31
▸ HDAC9 known ✓ Q9UKV0 2/20 0.31
▸ HDAC5 known ✓ Q9UQL6 2/20 0.31
▸ KDM4A O75164 13/20 0.35
▸ KDM4C Q9H3R0 13/20 0.35
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PAOX Q6QHF9 1/20 0.31
▸ KDM5A P29375 1/20 0.30
▸ KDM7A Q6ZMT4 1/20 0.30
▸ PHF8 Q9UPP1 1/20 0.30
▸ KDM2A Q9Y2K7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL25353052 0.85 REN (0.33) HDAC6PAOX
Hydrochloric Acid SCHEMBL26105045 0.84 KDM4A (0.38) KDM4AKDM4CPOLBTDP1PHF8
Hydrochloric Acid SCHEMBL26103338 0.84 POLB (0.40) KDM4AKDM4CPOLBTDP1PHF8
SCHEMBL31040417 0.83 KDM4C (0.41) KDM4AKDM4CPOLBTDP1KDM5A
SCHEMBL31040437 0.83 REN (0.33) HDAC6PAOX
SCHEMBL31040418 0.83 POLB (0.37) KDM4AKDM4CPOLBTDP1PHF8
SCHEMBL31040371 0.83 POLB (0.41) KDM4AKDM4CPOLBTDP1KDM7A
Hydrochloric Acid SCHEMBL26103082 0.79 KDM4C (0.35) KDM4AKDM4CHDAC3HDAC4HDAC1
SCHEMBL31040434 0.76 KDM4C (0.36) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL26101695 0.76 MAOA (0.34) TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4423107-A1 LIPID AMINES ModernaTX, Inc. (US) 2024-09-04 — — EP disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 — — WO disclosed
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