Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL9872027

Nc1nc(-c2ccccc2)c(CCN2CCN(c3cccc(Cl)c3)CC2)s1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.51

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cadaverine Tartrate. 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
HTR2A known ✓ P28223 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.45
SIGMAR1 Q99720 2/20 0.51
HTR1A P08908 5/20 0.47
HTR7 P34969 4/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1G O43497 2/20 0.46
DRD2 P14416 2/20 0.46
HTR6 P50406 1/20 0.46
DRD3 P35462 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL7268869 0.93 SIGMAR1 (0.58) SIGMAR1HTR1AHTR7KCNH2CACNA1G
Cadaverine Tartrate SCHEMBL9870596 0.86 HTR1A (0.45) HTR1ACACNA1GDRD2HTR2ADRD3
Cadaverine Tartrate SCHEMBL9872353 0.86 MAPT (0.47) HTR1AHTR7DRD2ADRA1ADRD3
Cadaverine Tartrate SCHEMBL9871114 0.84 HTR1A (0.49) SIGMAR1HTR1ACACNA1GDRD2HTR2A
Cadaverine Tartrate SCHEMBL9871086 0.83 DRD2 (0.46) HTR1ACACNA1GDRD2HTR2AADRA1A
Cadaverine Tartrate SCHEMBL9870639 0.82 PARP1 (0.46) HTR1AHTR7CACNA1GDRD2HTR2A
Cadaverine Tartrate SCHEMBL9871625 0.80 DRD2 (0.44) HTR1AHTR7DRD2HTR2AHTR6
Cadaverine Tartrate SCHEMBL9871618 0.80 DRD2 (0.44) HTR1AHTR7DRD2HTR2AHTR6
Cadaverine Tartrate SCHEMBL9871896 0.80 HTR1A (0.47) SIGMAR1HTR1AHTR7DRD2HTR2A
Cadaverine Tartrate SCHEMBL7270386 0.79 CYP1A2 (0.46) SIGMAR1HTR1AHTR7DRD2HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071864-A Administering for high blood pressure and central nervous syst em disorders BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed