Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL9751938

N.NS(=O)(=O)O.Nc1nc[nH]n1.O=C(O)C(O)C(O)C(=O)O.[KH].[SbH3]

nearest known ligand 0.31

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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
ADRB2 known ✓ P07550 1/20 0.30
ADRB1 known ✓ P08588 1/20 0.30
ADRA2A known ✓ P08913 1/20 0.30
ADRA2B known ✓ P18089 1/20 0.30
ADRA2C known ✓ P18825 1/20 0.30
SLC6A2 known ✓ P23975 1/20 0.30
ADRA1D known ✓ P25100 1/20 0.30
KDM4E B2RXH2 2/20 0.31
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
Amitrole SCHEMBL1872800 0.84 CA1 (0.33) KDM4ETSHRHSD17B10
Atrazine SCHEMBL9751928 0.78 GAA (0.39) KDM4ELMNATSHRMAPK1HSD17B10
Amitrole SCHEMBL11745846 0.77 KDM4E (0.32) KDM4E
Alanine SCHEMBL10952534 0.74 CYP1A2 (0.35)
Amitrole SCHEMBL788110 0.69 HSP90AA1 (0.33)
Cadaverine Tartrate SCHEMBL28236599 0.69 TSHR (0.62) KDM4EBLMPMP22LMNATSHR
Amitrole SCHEMBL44637 0.69
Trifluoroacetic Acid SCHEMBL508966 0.67 HRH4 (0.37) TSHRL3MBTL1
Amitrole SCHEMBL31379743 0.67
Amitrole SCHEMBL10550888 0.67

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
EP-0449975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS. BATTELLE MEMORIAL INSTITUTE (US) 1991-10-09 EP claimed