Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL9870596

Nc1nc(-c2ccccc2)c(CCN2CCN(c3ccc(F)cc3)CC2)s1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.45

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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 19)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 2/20 0.42
HRH1 known ✓ P35367 1/20 0.42
HTR1A P08908 4/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CACNA1G O43497 2/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
DRD4 P21917 4/20 0.42
DRD2 P14416 2/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A7 Q99884 1/20 0.41
POLB P06746 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
Cadaverine Tartrate SCHEMBL9870639 0.95 PARP1 (0.46) HTR1AUSP2ALDH1A1CYP1A2CACNA1G
SCHEMBL7277915 0.91 CACNA1G (0.48) HTR1AALDH1A1CACNA1GGRIN1GRIN2B
Cadaverine Tartrate SCHEMBL9872353 0.91 MAPT (0.47) HTR1AALDH1A1CYP1A2DRD4DRD2
Cadaverine Tartrate SCHEMBL9871114 0.88 HTR1A (0.49) HTR1AUSP2ALDH1A1CACNA1GDRD2
SCHEMBL7277460 0.86 CACNA1G (0.50) HTR1AALDH1A1CACNA1GGRIN1GRIN2B
Cadaverine Tartrate SCHEMBL9872027 0.86 SIGMAR1 (0.51) HTR1ACYP1A2CACNA1GDRD2HTR2A
SCHEMBL7275861 0.81 MAPT (0.55) HTR1AALDH1A1CYP1A2DRD2HTR2A
Cadaverine Tartrate SCHEMBL9871618 0.80 DRD2 (0.44) HTR1ACYP1A2DRD4DRD2HTR2A
Cadaverine Tartrate SCHEMBL9871625 0.80 DRD2 (0.44) HTR1ACYP1A2DRD4DRD2HTR2A
Cadaverine Tartrate SCHEMBL9871896 0.80 HTR1A (0.47) HTR1ACYP1A2DRD4DRD2HTR2A

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